SIMILAR PATTERNS OF AMINO ACIDS FOR 1R55_A_097A518_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bud PROTEIN (ACUTOLYSIN
A)

(Deinagkistrodon
acutus) 		PF01421
(Reprolysin) 		7 ALA A 106
THR A 107
THR A 139
HIS A 142
GLU A 143
HIS A 146
HIS A 152
 None
None
None
ZN  A 800 (-3.2A)
ZN  A 800 ( 4.7A)
ZN  A 800 (-3.3A)
ZN  A 800 (-3.3A)
 0.70A 1r55A-1budA:
30.6		 1r55A-1budA:
36.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dih DIHYDRODIPICOLINATE
REDUCTASE

(Escherichia
coli) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 ALA A 222
THR A 221
HIS A 159
ALA A 171
THR A 170
 None
 1.20A 1r55A-1dihA:
3.7		 1r55A-1dihA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1drk D-RIBOSE-BINDING
PROTEIN

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		5 THR A 135
GLU A 140
HIS A 100
ALA A  92
THR A  93
 None
 0.81A 1r55A-1drkA:
3.5		 1r55A-1drkA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ei6 PHOSPHONOACETATE
HYDROLASE

(Pseudomonas
fluorescens) 		PF01663
(Phosphodiest) 		5 ALA A 125
THR A 124
VAL A 123
HIS A 155
ALA A 147
 None
 1.09A 1r55A-1ei6A:
undetectable		 1r55A-1ei6A:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ge7 PEPTIDYL-LYS
METALLOENDOPEPTIDASE

(Grifola
frondosa) 		PF14521
(Aspzincin_M35) 		5 THR A  82
THR A 114
HIS A 117
GLU A 118
HIS A 121
 None
None
ZN  A 200 (-3.3A)
ZN  A 200 ( 4.2A)
ZN  A 200 (-3.2A)
 0.63A 1r55A-1ge7A:
3.7		 1r55A-1ge7A:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h71 SERRALYSIN

(Pseudomonas sp.
'TAC II 18') 		PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		5 THR P 166
HIS P 169
GLU P 170
HIS P 173
HIS P 179
 None
ZN  P 600 (-3.4A)
ZN  P 600 ( 4.0A)
ZN  P 600 (-3.4A)
ZN  P 600 (-3.4A)
 0.49A 1r55A-1h71P:
4.7		 1r55A-1h71P:
18.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1htd ATROLYSIN C

(Crotalus atrox) 		PF01421
(Reprolysin) 		6 THR A 107
THR A 139
HIS A 142
GLU A 143
HIS A 146
HIS A 152
 None
None
ZN  A 401 ( 3.2A)
ZN  A 401 ( 4.5A)
ZN  A 401 ( 3.2A)
ZN  A 401 ( 3.2A)
 0.33A 1r55A-1htdA:
30.1		 1r55A-1htdA:
34.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i41 CYSTATHIONINE
GAMMA-SYNTHASE

(Nicotiana
tabacum) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A 259
THR A 132
GLU A 120
HIS A 288
ALA A 141
 None
 1.23A 1r55A-1i41A:
undetectable		 1r55A-1i41A:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iab ASTACIN

(Astacus astacus) 		PF01400
(Astacin) 		5 THR A  89
HIS A  92
GLU A  93
HIS A  96
HIS A 102
 None
CO  A 999 (-3.2A)
CO  A 999 ( 4.3A)
CO  A 999 (-3.3A)
CO  A 999 (-3.1A)
 0.28A 1r55A-1iabA:
4.1		 1r55A-1iabA:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1js8 HEMOCYANIN

(Enteroctopus
dofleini) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 VAL A2678
HIS A2701
HIS A2702
HIS A2671
ALA A2673
 None
None
CUO  A 888 (-3.3A)
CUO  A 888 (-3.4A)
None
 1.16A 1r55A-1js8A:
undetectable		 1r55A-1js8A:
21.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kug METALLOPROTEINASE

(Protobothrops
mucrosquamatus) 		PF01421
(Reprolysin) 		6 THR A 109
THR A 141
HIS A 144
GLU A 145
HIS A 148
HIS A 154
 None
None
CD  A 981 (-3.5A)
CD  A 981 ( 4.6A)
CD  A 981 (-3.4A)
CD  A 981 (-3.4A)
 0.33A 1r55A-1kugA:
31.4		 1r55A-1kugA:
34.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lml LEISHMANOLYSIN

(Leishmania
major) 		PF01457
(Peptidase_M8) 		5 HIS A 264
GLU A 265
HIS A 268
HIS A 334
ALA A 348
 ZN  A 578 ( 3.5A)
ZN  A 578 ( 4.1A)
ZN  A 578 ( 3.4A)
ZN  A 578 ( 3.4A)
None
 0.58A 1r55A-1lmlA:
6.9		 1r55A-1lmlA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 VAL A 188
HIS A 211
HIS A 212
HIS A 181
ALA A 183
 None
None
CU  A5012 (-3.1A)
CU  A5012 (-3.4A)
None
 1.21A 1r55A-1lnlA:
undetectable		 1r55A-1lnlA:
17.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nd1 BAP1

(Bothrops asper) 		PF01421
(Reprolysin) 		6 THR A 107
THR A 139
HIS A 142
GLU A 143
HIS A 146
HIS A 152
 None
None
ZN  A 400 (-3.2A)
ZN  A 400 ( 4.4A)
ZN  A 400 (-3.3A)
ZN  A 400 (-3.2A)
 0.36A 1r55A-1nd1A:
30.6		 1r55A-1nd1A:
39.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nd1 BAP1

(Bothrops asper) 		PF01421
(Reprolysin) 		5 THR A 139
HIS A 142
GLU A 143
HIS A 146
ALA A 167
 None
ZN  A 400 (-3.2A)
ZN  A 400 ( 4.4A)
ZN  A 400 (-3.3A)
None
 1.24A 1r55A-1nd1A:
30.6		 1r55A-1nd1A:
39.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qua ACUTOLYSIN-C

(Deinagkistrodon
acutus) 		PF01421
(Reprolysin) 		7 THR A 107
VAL A 108
THR A 139
HIS A 142
GLU A 143
HIS A 146
HIS A 152
 None
None
None
ZN  A 999 (-3.2A)
ZN  A 999 ( 4.5A)
ZN  A 999 (-3.3A)
ZN  A 999 (-3.1A)
 0.42A 1r55A-1quaA:
30.2		 1r55A-1quaA:
34.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wni TRIMERELYSIN II

(Protobothrops
flavoviridis) 		PF01421
(Reprolysin) 		6 THR A 107
THR A 139
HIS A 142
GLU A 143
HIS A 146
HIS A 152
 None
None
ZN  A 999 (-3.5A)
ZN  A 999 ( 4.2A)
ZN  A 999 (-3.5A)
ZN  A 999 (-3.4A)
 0.31A 1r55A-1wniA:
30.7		 1r55A-1wniA:
34.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xcr HYPOTHETICAL PROTEIN
PTD012

(Homo sapiens) 		PF08925
(DUF1907) 		5 ALA A 155
HIS A 268
GLU A 110
HIS A 278
HIS A 266
 None
ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
 1.19A 1r55A-1xcrA:
undetectable		 1r55A-1xcrA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xcr HYPOTHETICAL PROTEIN
PTD012

(Homo sapiens) 		PF08925
(DUF1907) 		5 HIS A 268
GLU A 110
HIS A 278
HIS A 266
ALA A 158
 ZN  A1001 ( 3.2A)
ACY  A2001 ( 3.7A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 3.2A)
None
 0.99A 1r55A-1xcrA:
undetectable		 1r55A-1xcrA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xv2 HYPOTHETICAL
PROTEIN, SIMILAR TO
ALPHA-ACETOLACTATE
DECARBOXYLASE

(Staphylococcus
aureus) 		PF03306
(AAL_decarboxy) 		5 HIS A 175
GLU A  45
HIS A 186
HIS A 173
ALA A  74
 ZN  A 801 (-3.4A)
ZN  A 801 ( 4.4A)
ZN  A 801 (-3.3A)
ZN  A 801 (-3.5A)
None
 1.04A 1r55A-1xv2A:
undetectable		 1r55A-1xv2A:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yp1 FII

(Deinagkistrodon
acutus) 		PF01421
(Reprolysin) 		6 ALA A 106
VAL A 108
HIS A 142
GLU A 143
HIS A 146
HIS A 152
 None
None
ZN  A 999 (-3.3A)
ZN  A 999 ( 4.9A)
ZN  A 999 (-3.4A)
ZN  A 999 (-3.2A)
 0.46A 1r55A-1yp1A:
30.6		 1r55A-1yp1A:
33.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a0s 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE

(Plasmodium
vivax) 		PF01242
(PTPS) 		5 THR A  46
HIS A  48
GLU A  45
HIS A  36
HIS A  50
 None
ZN  A 281 (-3.3A)
BIO  A 282 (-3.1A)
ZN  A 281 ( 3.5A)
ZN  A 281 (-3.3A)
 1.25A 1r55A-2a0sA:
undetectable		 1r55A-2a0sA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d0i DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A 258
THR A 259
HIS A 284
GLU A 265
ALA A 286
 None
 1.13A 1r55A-2d0iA:
undetectable		 1r55A-2d0iA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e3x COAGULATION FACTOR
X-ACTIVATING ENZYME
HEAVY CHAIN

(Daboia
siamensis) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		5 THR A 110
HIS A 145
GLU A 146
HIS A 149
HIS A 155
 GM6  A 700 ( 4.6A)
ZN  A 800 ( 3.3A)
GM6  A 700 ( 3.4A)
ZN  A 800 ( 3.2A)
ZN  A 800 ( 3.1A)
 0.35A 1r55A-2e3xA:
29.6		 1r55A-2e3xA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2erq VASCULAR
APOPTOSIS-INDUCING
PROTEIN 1

(Crotalus atrox) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		6 THR A 300
HIS A 335
GLU A 336
HIS A 339
HIS A 345
ALA A 362
 None
ZN  A 700 (-3.4A)
ZN  A 700 ( 4.3A)
ZN  A 700 (-3.4A)
ZN  A 700 (-3.0A)
None
 0.67A 1r55A-2erqA:
32.0		 1r55A-2erqA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fv5 ADAM 17

(Homo sapiens) 		PF13688
(Reprolysin_5) 		5 THR A 347
HIS A 405
GLU A 406
HIS A 409
ALA A 439
 541  A   1 (-3.6A)
ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
541  A   1 (-3.9A)
 1.04A 1r55A-2fv5A:
21.3		 1r55A-2fv5A:
27.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fv5 ADAM 17

(Homo sapiens) 		PF13688
(Reprolysin_5) 		5 THR A 347
HIS A 405
GLU A 406
HIS A 409
HIS A 415
 541  A   1 (-3.6A)
ZN  A   3 ( 3.2A)
541  A   1 (-2.6A)
ZN  A   3 ( 3.3A)
ZN  A   3 ( 3.2A)
 0.28A 1r55A-2fv5A:
21.3		 1r55A-2fv5A:
27.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hes YDR267CP

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ALA X 313
THR X 314
VAL X 300
HIS X 249
ALA X 257
 None
 1.18A 1r55A-2hesX:
undetectable		 1r55A-2hesX:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ius DNA TRANSLOCASE FTSK

(Escherichia
coli) 		PF01580
(FtsK_SpoIIIE) 		5 THR A1044
VAL A1043
THR A1040
GLU A1041
THR A1247
 None
 1.25A 1r55A-2iusA:
undetectable		 1r55A-2iusA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 280
VAL A 393
HIS A 348
HIS A 385
THR A 383
 None
 1.05A 1r55A-2iwzA:
undetectable		 1r55A-2iwzA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 281
THR A 379
HIS A 348
HIS A 385
THR A 383
 None
 1.22A 1r55A-2iwzA:
undetectable		 1r55A-2iwzA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jsd MATRIX
METALLOPROTEINASE-20

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 THR A 188
HIS A 226
GLU A 227
HIS A 230
HIS A 236
 NGH  A 277 ( 3.8A)
NGH  A 277 ( 3.0A)
NGH  A 277 (-3.6A)
ZN  A 276 ( 3.3A)
ZN  A 276 ( 3.0A)
 0.88A 1r55A-2jsdA:
9.1		 1r55A-2jsdA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2os3 PEPTIDE DEFORMYLASE

(Streptococcus
pyogenes) 		PF01327
(Pep_deformylase) 		5 ALA A  69
VAL A  71
HIS A 174
GLU A 175
HIS A 178
 None
BB2  A 400 ( 3.8A)
CO  A 300 ( 3.6A)
BB2  A 400 (-2.8A)
CO  A 300 ( 3.4A)
 0.56A 1r55A-2os3A:
undetectable		 1r55A-2os3A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p7h HYPOTHETICAL PROTEIN

(Pectobacterium
atrosepticum) 		PF13489
(Methyltransf_23) 		5 ALA A 237
THR A 175
HIS A 172
HIS A 114
HIS A 170
 None
EDO  A 252 (-3.5A)
EDO  A 252 (-3.9A)
None
None
 1.12A 1r55A-2p7hA:
undetectable		 1r55A-2p7hA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2puz IMIDAZOLONEPROPIONAS
E

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		5 THR A  87
HIS A  86
HIS A 256
HIS A 279
THR A 330
 None
FE  A 500 (-3.3A)
FE  A 500 (-3.6A)
None
None
 1.21A 1r55A-2puzA:
undetectable		 1r55A-2puzA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rjq ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		6 THR A 378
THR A 407
HIS A 410
GLU A 411
HIS A 414
HIS A 420
 BAT  A 559 ( 4.1A)
BAT  A 559 ( 3.8A)
ZN  A   1 ( 3.2A)
BAT  A 559 (-2.5A)
ZN  A   1 ( 3.3A)
ZN  A   1 ( 3.3A)
 0.46A 1r55A-2rjqA:
25.4		 1r55A-2rjqA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vr2 DIHYDROPYRIMIDINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 ALA A 224
HIS A 248
HIS A 192
ALA A 229
THR A 230
 None
ZN  A1495 (-3.4A)
ZN  A1495 (-3.7A)
None
None
 1.09A 1r55A-2vr2A:
undetectable		 1r55A-2vr2A:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xec PUTATIVE MALEATE
ISOMERASE

(Nocardia
farcinica) 		no annotation 5 ALA A 121
HIS A  88
GLU A 148
HIS A  89
ALA A 114
 None
 1.24A 1r55A-2xecA:
4.6		 1r55A-2xecA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y6c MATRILYSIN

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 THR A 180
HIS A 219
GLU A 220
HIS A 223
HIS A 229
 TQI  A1269 (-4.2A)
ZN  A1267 ( 3.2A)
TQI  A1269 (-2.9A)
ZN  A1267 ( 3.3A)
ZN  A1267 ( 3.2A)
 0.53A 1r55A-2y6cA:
8.5		 1r55A-2y6cA:
25.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b8z PROTEIN ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		6 THR A 378
THR A 407
HIS A 410
GLU A 411
HIS A 414
HIS A 420
 294  A 801 ( 3.8A)
294  A 801 ( 3.8A)
ZN  A 901 ( 3.2A)
294  A 801 (-2.7A)
ZN  A 901 ( 3.3A)
ZN  A 901 ( 3.3A)
 0.33A 1r55A-3b8zA:
25.7		 1r55A-3b8zA:
30.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ba0 MACROPHAGE
METALLOELASTASE

(Homo sapiens) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10) 		5 THR A 215
HIS A 218
GLU A 219
HIS A 222
HIS A 228
 None
ZN  A 471 (-4.0A)
ZN  A 471 ( 3.2A)
HAE  A 477 ( 3.1A)
ZN  A 471 (-3.7A)
 0.67A 1r55A-3ba0A:
9.3		 1r55A-3ba0A:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dsl ZINC
METALLOPROTEINASE-DI
SINTEGRIN
BOTHROPASIN

(Bothrops
jararaca) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		5 THR A 110
HIS A 145
GLU A 146
HIS A 149
HIS A 155
 FLE  A 504 (-4.0A)
ZN  A 503 ( 3.3A)
TRP  A 505 (-2.4A)
ZN  A 503 ( 3.3A)
ZN  A 503 ( 3.3A)
 0.49A 1r55A-3dslA:
31.4		 1r55A-3dslA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ee4 PROBABLE
RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mycobacterium
tuberculosis) 		PF00268
(Ribonuc_red_sm) 		5 THR A 105
HIS A 104
GLU A  68
HIS A 205
ALA A  98
 None
MN3  A 316 (-3.3A)
MN3  A 316 ( 2.4A)
FE  A 317 (-3.4A)
None
 1.18A 1r55A-3ee4A:
undetectable		 1r55A-3ee4A:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fw0 PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE

(Rattus
norvegicus) 		PF01436
(NHL) 		5 ALA A 640
THR A 598
HIS A 585
HIS A 786
HIS A 690
 None
None
HG  A 821 (-3.4A)
HG  A 821 ( 3.5A)
HG  A 821 (-3.6A)
 1.23A 1r55A-3fw0A:
undetectable		 1r55A-3fw0A:
21.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gbo ZINC
METALLOPROTEINASE
BMOOMPALFA-I

(Bothrops
moojeni) 		PF01421
(Reprolysin) 		5 THR A 137
HIS A 140
GLU A 141
HIS A 144
ALA A 165
 None
ZN  A 302 (-3.3A)
ZN  A 302 ( 4.6A)
ZN  A 302 (-3.3A)
None
 1.20A 1r55A-3gboA:
31.6		 1r55A-3gboA:
37.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gbo ZINC
METALLOPROTEINASE
BMOOMPALFA-I

(Bothrops
moojeni) 		PF01421
(Reprolysin) 		5 THR A 137
HIS A 140
GLU A 141
HIS A 144
HIS A 150
 None
ZN  A 302 (-3.3A)
ZN  A 302 ( 4.6A)
ZN  A 302 (-3.3A)
ZN  A 302 (-3.2A)
 0.20A 1r55A-3gboA:
31.6		 1r55A-3gboA:
37.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hea ARYLESTERASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		5 ALA A 190
THR A 191
VAL A 192
ALA A 197
THR A 196
 None
None
None
None
GOL  A 273 (-3.6A)
 1.18A 1r55A-3heaA:
undetectable		 1r55A-3heaA:
23.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		5 ALA A 347
THR A 348
VAL A 349
ALA A 340
THR A 339
 None
 1.14A 1r55A-3iuuA:
3.3		 1r55A-3iuuA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k7n K-LIKE

(Naja atra) 		PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		7 THR A 306
VAL A 307
THR A 338
HIS A 341
GLU A 342
HIS A 345
HIS A 351
 None
None
None
ZN  A 704 (-3.1A)
ZN  A 704 ( 4.5A)
ZN  A 704 (-3.3A)
ZN  A 704 (-3.2A)
 0.44A 1r55A-3k7nA:
30.9		 1r55A-3k7nA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lnl UPF0135 PROTEIN
SA1388

(Staphylococcus
aureus) 		PF01784
(NIF3) 		5 ALA A  23
THR A 103
HIS A  69
GLU A 333
HIS A 330
 None
B3P  A 371 ( 4.8A)
ZN  A 402 (-3.5A)
ZN  A 401 ( 2.4A)
ZN  A 402 (-3.4A)
 1.25A 1r55A-3lnlA:
undetectable		 1r55A-3lnlA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lun ULILYSIN

(Methanosarcina
acetivorans) 		PF05572
(Peptidase_M43) 		5 THR A 225
HIS A 228
GLU A 229
HIS A 232
HIS A 238
 None
ZN  A 999 (-3.1A)
ZN  A 999 ( 3.8A)
ZN  A 999 (-3.1A)
ZN  A 999 (-3.0A)
 0.56A 1r55A-3lunA:
13.5		 1r55A-3lunA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nf4 ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
thermoresistibile) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A  88
VAL A  92
THR A 164
HIS A 165
ALA A 210
 None
None
FAD  A 384 (-4.0A)
None
None
 1.12A 1r55A-3nf4A:
undetectable		 1r55A-3nf4A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q2h A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 1

(Homo sapiens) 		PF01421
(Reprolysin) 		6 THR A 117
THR A 146
HIS A 149
GLU A 150
HIS A 153
HIS A 159
 QHF  A   1 ( 4.0A)
QHF  A   1 (-4.4A)
ZN  A 401 ( 3.3A)
QHF  A   1 (-2.6A)
QHF  A   1 ( 3.0A)
ZN  A 401 ( 3.2A)
 0.29A 1r55A-3q2hA:
25.6		 1r55A-3q2hA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII

(Streptomyces
venezuelae) 		PF08659
(KR) 		5 ALA A 351
THR A 350
VAL A 349
HIS A 100
ALA A 344
 None
 1.08A 1r55A-3qp9A:
undetectable		 1r55A-3qp9A:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ALA A 278
VAL A 298
HIS A 334
ALA A 289
THR A 287
 None
 1.24A 1r55A-3tsdA:
undetectable		 1r55A-3tsdA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3txv PROBABLE TAGATOSE
6-PHOSPHATE KINASE

(Sinorhizobium
meliloti) 		PF08013
(Tagatose_6_P_K) 		5 ALA A 200
HIS A 265
GLU A 178
HIS A  95
HIS A 129
 None
 1.16A 1r55A-3txvA:
undetectable		 1r55A-3txvA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vi1 ALKALINE
METALLOPROTEINASE

(Pseudomonas
aeruginosa) 		PF08548
(Peptidase_M10_C)
PF13583
(Reprolysin_4) 		5 THR A 173
HIS A 176
GLU A 177
HIS A 180
HIS A 186
 None
ZN  A 500 (-3.2A)
ZN  A 500 ( 4.2A)
ZN  A 500 (-3.3A)
ZN  A 500 (-3.2A)
 0.37A 1r55A-3vi1A:
7.0		 1r55A-3vi1A:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w3a V-TYPE ATP SYNTHASE
BETA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 ALA D 171
THR D 172
VAL D 173
GLU D 182
ALA D 188
 None
 1.06A 1r55A-3w3aD:
undetectable		 1r55A-3w3aD:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxm PROTEIN PELOTA
HOMOLOG

(Aeropyrum
pernix) 		PF03463
(eRF1_1)
PF03465
(eRF1_3) 		5 ALA B 220
THR B 221
VAL B 222
THR B 224
ALA B 132
 None
 1.15A 1r55A-3wxmB:
undetectable		 1r55A-3wxmB:
21.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aig ADAMALYSIN II

(Crotalus
adamanteus) 		PF01421
(Reprolysin) 		5 THR A 139
HIS A 142
GLU A 143
HIS A 146
HIS A 152
 FLX  A 400 ( 3.8A)
ZN  A 999 ( 3.2A)
FLX  A 400 (-2.8A)
ZN  A 999 ( 3.3A)
ZN  A 999 ( 3.5A)
 0.34A 1r55A-4aigA:
30.7		 1r55A-4aigA:
34.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 ALA A 892
HIS A1046
HIS A1015
HIS A1019
ALA A1037
 None
CUO  A9003 (-3.2A)
CUO  A9003 (-3.1A)
CUO  A9003 (-3.4A)
None
 1.24A 1r55A-4bedA:
undetectable		 1r55A-4bedA:
8.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 HIS B2670
HIS B2701
HIS B2674
ALA B2672
THR B2669
 CUO  B9007 (-3.4A)
CUO  B9007 (-3.1A)
CUO  B9007 (-3.4A)
None
None
 1.15A 1r55A-4bedB:
undetectable		 1r55A-4bedB:
8.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 VAL A 186
HIS A 209
HIS A 210
HIS A 179
ALA A 181
 None
None
CUO  A9001 (-3.3A)
CUO  A9001 (-3.4A)
None
 1.22A 1r55A-4bedA:
undetectable		 1r55A-4bedA:
8.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bt6 ALPHA-ACETOLACTATE
DECARBOXYLASE

(Brevibacillus
brevis) 		PF03306
(AAL_decarboxy) 		5 HIS A 196
GLU A  65
HIS A 207
HIS A 194
ALA A  94
 ZN  A1257 ( 3.3A)
GOL  A1258 (-2.7A)
ZN  A1257 ( 3.2A)
ZN  A1257 ( 3.3A)
None
 1.12A 1r55A-4bt6A:
undetectable		 1r55A-4bt6A:
20.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dd8 DISINTEGRIN AND
METALLOPROTEINASE
DOMAIN-CONTAINING
PROTEIN 8

(Homo sapiens) 		PF01421
(Reprolysin) 		7 THR A 300
VAL A 301
THR A 331
HIS A 334
GLU A 335
HIS A 338
HIS A 344
 BAT  A1000 (-3.2A)
BAT  A1000 (-3.8A)
BAT  A1000 ( 3.8A)
ZN  A1002 ( 3.3A)
BAT  A1000 (-2.7A)
ZN  A1002 (-3.3A)
ZN  A1002 ( 3.3A)
 0.32A 1r55A-4dd8A:
31.1		 1r55A-4dd8A:
43.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dkk DOUBLE-STRANDED
RNA-BINDING PROTEIN
STAUFEN HOMOLOG 1

(Homo sapiens) 		PF16482
(Staufen_C) 		5 ALA A 368
THR A 369
VAL A 370
THR A 386
ALA A 375
 None
 1.11A 1r55A-4dkkA:
undetectable		 1r55A-4dkkA:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e54 DNA DAMAGE-BINDING
PROTEIN 2

(Homo sapiens) 		PF00400
(WD40) 		5 ALA B 259
THR B 260
VAL B 267
ALA B 293
THR B 305
 None
 1.24A 1r55A-4e54B:
undetectable		 1r55A-4e54B:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f32 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Burkholderia
vietnamiensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 246
THR A 343
HIS A 313
HIS A 349
THR A 347
 None
None
N32  A 501 (-4.0A)
N32  A 501 (-3.9A)
None
 1.22A 1r55A-4f32A:
undetectable		 1r55A-4f32A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gr8 MACROPHAGE
METALLOELASTASE

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 THR A 215
HIS A 218
GLU A 219
HIS A 222
HIS A 228
 R4C  A 306 (-3.6A)
R4C  A 306 ( 3.2A)
R4C  A 306 (-2.7A)
ZN  A 301 ( 3.2A)
ZN  A 301 ( 3.2A)
 0.43A 1r55A-4gr8A:
10.5		 1r55A-4gr8A:
25.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gwn MEPRIN A SUBUNIT
BETA

(Homo sapiens) 		PF00629
(MAM)
PF01400
(Astacin) 		5 THR A 149
HIS A 152
GLU A 153
HIS A 156
HIS A 162
 None
CD  A 701 (-3.7A)
CD  A 701 (-3.5A)
CD  A 701 (-3.7A)
CD  A 701 (-3.7A)
 0.48A 1r55A-4gwnA:
6.4		 1r55A-4gwnA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h18 CMT1

(Corynebacterium
glutamicum) 		PF00756
(Esterase) 		5 ALA A 192
THR A 194
HIS A 201
GLU A 162
ALA A 255
 None
 1.22A 1r55A-4h18A:
undetectable		 1r55A-4h18A:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j4m ZINC-DEPENDENT
METALLOPROTEINASE

(Protobothrops
mucrosquamatus) 		PF01421
(Reprolysin) 		5 THR A 109
HIS A 144
GLU A 145
HIS A 148
ALA A 171
 None
ZN  A 301 (-3.3A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.2A)
None
 1.09A 1r55A-4j4mA:
31.1		 1r55A-4j4mA:
34.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j4m ZINC-DEPENDENT
METALLOPROTEINASE

(Protobothrops
mucrosquamatus) 		PF01421
(Reprolysin) 		7 THR A 109
THR A 141
HIS A 144
GLU A 145
HIS A 148
HIS A 154
ALA A 170
 None
None
ZN  A 301 (-3.3A)
ZN  A 301 ( 4.6A)
ZN  A 301 (-3.2A)
ZN  A 301 (-3.2A)
None
 0.27A 1r55A-4j4mA:
31.1		 1r55A-4j4mA:
34.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jiv PUTATIVE
UNCHARACTERIZED
PROTEIN

(Vibrio cholerae) 		PF05488
(PAAR_motif) 		5 ALA D  24
THR D  23
VAL D  22
HIS D  46
ALA D  57
 None
None
None
ZN  D 101 (-3.4A)
None
 0.95A 1r55A-4jivD:
undetectable		 1r55A-4jivD:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Thermobifida
fusca) 		PF02011
(Glyco_hydro_48) 		5 ALA A 503
THR A 502
VAL A 499
THR A 543
HIS A 535
 None
None
None
None
ZN  A 722 ( 3.2A)
 1.17A 1r55A-4jjjA:
undetectable		 1r55A-4jjjA:
14.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 ALA D 236
VAL D 350
HIS D 304
HIS D 342
THR D 340
 None
 1.04A 1r55A-4jrmD:
undetectable		 1r55A-4jrmD:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A3326
THR A3476
HIS A3364
GLU A3375
ALA A3479
 None
 1.24A 1r55A-4kc5A:
undetectable		 1r55A-4kc5A:
10.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l63 ECXA

(Escherichia
coli) 		PF16313
(DUF4953) 		5 THR A 176
HIS A 179
GLU A 180
HIS A 183
HIS A 189
 None
ZN  A 301 (-3.3A)
ZN  A 301 ( 4.4A)
ZN  A 301 (-3.4A)
ZN  A 301 (-3.3A)
 0.36A 1r55A-4l63A:
6.3		 1r55A-4l63A:
25.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mcx ANTIDOTE PROTEIN

(Proteus
vulgaris) 		PF01381
(HTH_3) 		5 ALA A  36
THR A  37
VAL A  38
HIS A   8
ALA A  43
 None
 1.17A 1r55A-4mcxA:
undetectable		 1r55A-4mcxA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4on1 PUTATIVE
METALLOPROTEASE II

(Bacteroides
fragilis) 		PF00413
(Peptidase_M10)
PF16376
(fragilysinNterm) 		5 THR A 314
THR A 348
HIS A 351
HIS A 355
HIS A 361
 None
None
ZN  A 400 (-3.2A)
ZN  A 400 (-3.2A)
ZN  A 400 (-3.1A)
 0.39A 1r55A-4on1A:
14.6		 1r55A-4on1A:
20.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4q1l SNAKE VENOM
METALLOPROTEINASE
LEUCUROLYSIN-A

(Bothrops
leucurus) 		PF01421
(Reprolysin) 		6 THR A 107
THR A 139
HIS A 142
GLU A 143
HIS A 146
HIS A 152
 None
None
ZN  A 302 (-3.2A)
ZN  A 302 ( 4.7A)
ZN  A 302 (-3.1A)
ZN  A 302 (-3.1A)
 0.23A 1r55A-4q1lA:
31.4		 1r55A-4q1lA:
36.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r8e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 235
VAL A 348
HIS A 303
HIS A 340
THR A 338
 None
 1.01A 1r55A-4r8eA:
undetectable		 1r55A-4r8eA:
19.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wk7 A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 4

(Homo sapiens) 		PF01421
(Reprolysin) 		6 THR A 329
THR A 358
HIS A 361
GLU A 362
HIS A 365
HIS A 371
 3PQ  A 505 ( 4.6A)
3PQ  A 505 ( 4.0A)
ZN  A 501 ( 3.2A)
3PQ  A 505 (-2.6A)
ZN  A 501 ( 3.3A)
ZN  A 501 ( 3.2A)
 0.39A 1r55A-4wk7A:
25.9		 1r55A-4wk7A:
30.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xrw BEXL

(Amycolatopsis
orientalis) 		PF10604
(Polyketide_cyc2) 		5 VAL A 217
THR A 231
GLU A 215
ALA A  55
THR A  54
 None
 1.23A 1r55A-4xrwA:
undetectable		 1r55A-4xrwA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		5 VAL A 259
HIS A 285
HIS A 286
HIS A 252
ALA A 254
 None
None
CU  A 701 (-3.1A)
CU  A 701 (-3.1A)
None
 1.13A 1r55A-4z11A:
undetectable		 1r55A-4z11A:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zd5 AMSH-LIKE PROTEASE
SST2

(Schizosaccharomyces
pombe) 		PF01398
(JAB) 		5 ALA A 403
VAL A 353
HIS A 341
HIS A 343
THR A 316
 None
EDO  A 505 (-4.6A)
ZN  A 501 ( 3.2A)
ZN  A 501 (-3.3A)
EDO  A 505 (-4.7A)
 1.17A 1r55A-4zd5A:
undetectable		 1r55A-4zd5A:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zqg 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Moraxella
catarrhalis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 ALA A 142
THR A 141
VAL A 138
ALA A 116
THR A 113
 None
 1.17A 1r55A-4zqgA:
2.4		 1r55A-4zqgA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5czw MYROILYSIN

(Myroides
profundi) 		PF01400
(Astacin) 		6 ALA A  25
THR A 139
HIS A 142
GLU A 143
HIS A 146
HIS A 152
 MLY  A  26 ( 3.5A)
None
ZN  A 301 ( 3.4A)
ZN  A 301 ( 4.2A)
ZN  A 301 ( 3.3A)
ZN  A 301 ( 3.1A)
 0.75A 1r55A-5czwA:
7.1		 1r55A-5czwA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d7w SERRALYSIN

(Serratia
marcescens) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		5 THR A 173
HIS A 176
GLU A 177
HIS A 180
HIS A 186
 THR  A 173 ( 0.8A)
HIS  A 176 (-1.0A)
GLU  A 177 ( 0.6A)
HIS  A 180 (-1.0A)
HIS  A 186 (-1.0A)
 0.49A 1r55A-5d7wA:
6.8		 1r55A-5d7wA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT

(Escherichia
coli) 		PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ALA B 240
VAL B 231
THR C 599
ALA B 303
THR B 306
 None
 1.16A 1r55A-5g5gB:
undetectable		 1r55A-5g5gB:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jig UBIQUITIN AND WLM
DOMAIN-CONTAINING
METALLOPROTEASE
SPCC1442.07C

(Schizosaccharomyces
pombe) 		PF08325
(WLM) 		6 THR A  62
THR A  94
HIS A  97
GLU A  98
HIS A 101
HIS A 107
 None
None
NI  A 201 ( 3.3A)
OXY  A 202 (-2.8A)
NI  A 201 ( 3.3A)
NI  A 201 (-3.3A)
 0.68A 1r55A-5jigA:
4.0		 1r55A-5jigA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u4n FRUCTOSE-1

(Neisseria
gonorrhoeae) 		PF01116
(F_bP_aldolase) 		5 ALA A 124
THR A 125
VAL A 128
HIS A  81
ALA A  86
 None
 1.24A 1r55A-5u4nA:
undetectable		 1r55A-5u4nA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vkq NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L

(Drosophila
melanogaster) 		PF00023
(Ank)
PF00520
(Ion_trans)
PF12796
(Ank_2)
PF13637
(Ank_4) 		5 ALA A 410
THR A 407
THR A 431
HIS A 395
ALA A 437
 None
 1.24A 1r55A-5vkqA:
undetectable		 1r55A-5vkqA:
8.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xbn WSS1P

(Saccharomyces
cerevisiae) 		no annotation 5 THR A 112
HIS A 115
GLU A 116
HIS A 119
HIS A 125
 None
ZN  A 201 (-3.2A)
ZN  A 201 ( 4.7A)
ZN  A 201 (-3.3A)
ZN  A 201 (-3.2A)
 0.30A 1r55A-5xbnA:
4.5		 1r55A-5xbnA:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bdz DISINTEGRIN AND
METALLOPROTEINASE
DOMAIN-CONTAINING
PROTEIN 10

(Homo sapiens) 		no annotation 5 THR A 380
HIS A 383
GLU A 384
HIS A 387
HIS A 393
 None
ZN  A 705 (-3.3A)
ZN  A 705 (-3.8A)
ZN  A 705 (-4.0A)
ZN  A 705 (-3.2A)
 0.72A 1r55A-6bdzA:
21.1		 1r55A-6bdzA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 5 ALA A 443
VAL A 446
THR A 450
ALA A 279
THR A 282
 None
 1.15A 1r55A-6c62A:
undetectable		 1r55A-6c62A:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6emk TARGET OF RAPAMYCIN
COMPLEX SUBUNIT LST8

(Saccharomyces
cerevisiae) 		no annotation 5 ALA B 299
VAL B   6
HIS B  30
HIS B  12
ALA B  48
 None
 1.22A 1r55A-6emkB:
undetectable		 1r55A-6emkB:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6h25 -

(-) 		no annotation 5 ALA D  62
VAL D  64
GLU D  69
ALA D  74
THR D  75
 None
 1.13A 1r55A-6h25D:
2.1		 1r55A-6h25D:
undetectable